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Chemical ID: 6884242

CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C

Chemical ID:

6884242

Name [?]:

N-(4-butylphenyl)-4-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]benzamide

SMILES [?]:

CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C

InChi [?]:

InChI=1/C26H27ClN2O3/c1-3-4-5-19-7-12-21(13-8-19)29-26(31)20-9-14-23(15-10-20)32-17-25(30)28-22-11-6-18(2)24(27)16-22/h6-16H,3-5,17H2,1-2H3,(H,28,30)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,32,2,3,4,27,6,10,15,19,26,7,9,16,18,30,21,28,5,14,8,25,17,29,22,12,31,24,11,23,13,20/E:(7,8)(9,10)(12,13)(14,15)/rA:32nCCCCCCCCCCNCOCCCCCCOCCONCCCCCCClC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇ClN₂O₃
All Atoms:	59
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1852
Area:	734.174
Solvation:	-5.16914
Coulombic:	-51.4853

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	450.957
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	6.53
LogP (Chemaxon):	6.57

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value